1-(4-benzylpiperazin-1-yl)-2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]ethanone

C22H27N5O2 — CID 4529281

IUPAC1-(4-benzylpiperazin-1-yl)-2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]ethanone
SMILESO=C(Cn1c(NCCO)nc2ccccc21)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C22H27N5O2/c28-15-10-23-22-24-19-8-4-5-9-20(19)27(22)17-21(29)26-13-11-25(12-14-26)16-18-6-2-1-3-7-18/h1-9,28H,10-17H2,(H,23,24)
InChIKeyCYUMMKOCPFDFTH-UHFFFAOYSA-N
MW393.49 g/mol
LogP1.78
Rot. Bonds7

About 1-(4-benzylpiperazin-1-yl)-2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]ethanone

1-(4-benzylpiperazin-1-yl)-2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]ethanone (PubChem CID 4529281) has the molecular formula C22H27N5O2 and a molecular weight of 393.49 g/mol. Its IUPAC name is 1-(4-benzylpiperazin-1-yl)-2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]ethanone.

Molecular Properties

Compound Name1-(4-benzylpiperazin-1-yl)-2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]ethanone
PubChem CID4529281
Molecular FormulaC22H27N5O2
Molecular Weight393.49 g/mol
Exact Mass393.22
IUPAC Name1-(4-benzylpiperazin-1-yl)-2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]ethanone
SMILESO=C(Cn1c(NCCO)nc2ccccc21)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C22H27N5O2/c28-15-10-23-22-24-19-8-4-5-9-20(19)27(22)17-21(29)26-13-11-25(12-14-26)16-18-6-2-1-3-7-18/h1-9,28H,10-17H2,(H,23,24)
InChIKeyCYUMMKOCPFDFTH-UHFFFAOYSA-N
XLogP1.78
TPSA73.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4-benzylpiperazin-1-yl)-2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]ethanone?
The IUPAC name of 1-(4-benzylpiperazin-1-yl)-2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]ethanone (CID 4529281) is 1-(4-benzylpiperazin-1-yl)-2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]ethanone.
What is the SMILES notation for 1-(4-benzylpiperazin-1-yl)-2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]ethanone?
The canonical SMILES for 1-(4-benzylpiperazin-1-yl)-2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]ethanone is O=C(Cn1c(NCCO)nc2ccccc21)N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 1-(4-benzylpiperazin-1-yl)-2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]ethanone?
The InChIKey is CYUMMKOCPFDFTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O2/c28-15-10-23-22-24-19-8-4-5-9-20(19)27(22)17-21(29)26-13-11-25(12-14-26)16-18-6-2-1-3-7-18/h1-9,28H,10-17H2,(H,23,24).
What are the key properties of 1-(4-benzylpiperazin-1-yl)-2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]ethanone?
1-(4-benzylpiperazin-1-yl)-2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]ethanone has a molecular weight of 393.49 g/mol, XLogP of 1.78, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-benzylpiperazin-1-yl)-2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]ethanone is sourced from PubChem (CID 4529281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).